CID 132352787

2095504-46-2

Structural Information

Molecular Formula
C11H18BF3NO2
SMILES
[B-](C12CCN(CC1C2)C(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C11H18BF3NO2/c1-10(2,3)18-9(17)16-5-4-11(12(13,14)15)6-8(11)7-16/h8H,4-7H2,1-3H3/q-1
InChIKey
BNYFOAVYOPULSD-UHFFFAOYSA-N
Compound name
trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.1.0]heptan-6-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.13828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14556 166.4
[M+Na]+ 287.12750 172.4
[M+NH4]+ 282.17210 171.9
[M+K]+ 303.10144 169.9
[M-H]- 263.13100 166.9
[M+Na-2H]- 285.11295 168.7
[M]+ 264.13773 167.8
[M]- 264.13883 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.